SCHEMBL8263117

SCHEMBL8263117

CN(C)c1cc(Nc2cccc3ccccc23)nc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HK1 P19367 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 5/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.39
PHGDH O43175 1/20 0.39
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3247557 0.89 NPC1 (0.41) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL3246488 0.87 MAPT (0.44) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL8088683 0.87 KDM4E (0.47) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL3240502 0.86 KMT2A (0.48) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL3240238 0.85 KDM4E (0.42) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL8097814 0.84 KDM4E (0.43) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL8100446 0.84 PTK2 (0.46) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL8103717 0.83 DHFR (0.41) HKDC1NPC1RAB9AHK1KDM4E
SCHEMBL3242654 0.83 GALR2 (0.53) RAB9AKDM4EMAPTTSHRHSD17B10
SCHEMBL3262592 0.82 TSHR (0.42) HKDC1NPC1RAB9AHK1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 HKDC1 778/4885NPC1 2979/4885RAB9A 2840/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.